(1R,2S)-2-[[(3-iodanyl-4-methoxy-phenyl)carbonylamino]carbamoyl]cyclohexane-1-carboxylate

Systemtic Name: (1R,2S)-2-[[(3-iodanyl-4-methoxy-phenyl)carbonylamino]carbamoyl]cyclohexane-1-carboxylate Openeye Name: (1R,2S)-2-[[(3-iodo-4-methoxy-benzoyl)amino]carbamoyl]cyclohexanecarboxylate CAS Name: (1R,2S)-2-[[[(3-iodo-4-methoxyphenyl)-oxomethyl]hydrazo]-oxomethyl]-1-cyclohexanecarboxylate IUPAC Name: (1R,2S)-2-[[(3-iodo-4-methoxybenzoyl)amino]carbamoyl]cyclohexane-1-carboxylate Traditional Name: (1R,2S)-2-[[(3-iodo-4-methoxy-benzoyl)amino]carbamoyl]cyclohexanecarboxylate Formula: C16H18IN2O5- MolecularWeight: 445.22899

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NNC(=O)C2CCCCC2C(=O)[O-])I

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NNC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])I

InChI

InChI=1S/C16H19IN2O5/c1-24-13-7-6-9(8-12(13)17)14(20)18-19-15(21)10-4-2-3-5-11(10)16(22)23/h6-8,10-11H,2-5H2,1H3,(H,18,20)(H,19,21)(H,22,23)/p-1/t10-,11+/m0/s1